HRID144827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID3153996

4-(4-Methylpiperazin-1-ylmethyl)phenylamine

C12H19N3

结构：O=C(O)c1ccc(-c2cc(NC(=O)C3CCCCC3)ccc2Cl)cc1

HCID59822346

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)C5CCCCC5)ccc4Cl)cc3)cc2)CC1

HCID67371224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-835011e23bc34aa7b0c09bae6161a362
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:26][N:27]1[CH2:28][CH2:29][N:30]([CH2:33][c:34]2[cH:35][cH:36][c:37]([NH2:40])[cH:38][cH:39]2)[CH2:31][CH2:32]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[Cl:1][c:2]1[c:3](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[OH:25])[cH:21][cH:22]2)[cH:4][c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:6][cH:7]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[Cl:1][c:2]1[c:3](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:25])[NH:40][c:37]3[cH:36][cH:35][c:34]([CH2:33][N:30]4[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]4)[cH:39][cH:38]3)[cH:21][cH:22]2)[cH:4][c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:6][cH:7]1